Information card for entry 7009324

Structure parameters

• Formula: C35 H36 N2 O4
• Calculated formula: C35 H36 N2 O4
• SMILES: O(c1ccc(cc1)/C=N/c1ccc(cc1)C(=O)Oc1ccc(/N=C/c2ccc(OCCCC)cc2)cc1)CCCC
• Title of publication: Synthesis of dinuclear complexes of rhenium(I) as potential metallomesogens
• Authors of publication: Guillevic, Marie-Andrée; Light, Mark E.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Bruce, Duncan W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 9
• Pages of publication: 1437
• a: 7.2025 ± 0.0006 Å
• b: 10.1729 ± 0.0013 Å
• c: 20.231 ± 0.003 Å
• α: 83.619 ± 0.005°
• β: 87.892 ± 0.008°
• γ: 83.518 ± 0.008°
• Cell volume: 1463.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1704
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1828
• Weighted residual factors for all reflections included in the refinement: 0.2201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No